UCSF

ZINC16052656

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.00 0.29 -38.45 3 1 1 28 60.12 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 83 Acros Organics
Melting_Point 83? Alfa-Aesar
Melting_Point 83° Alfa-Aesar
BP [°C] 48 Acros Organics
Boiling_Point 48-49? Alfa-Aesar
Boiling_Point 48-49° Alfa-Aesar
Patent Database Links EP0812824; EP1072599; EP1072600; EP1273583; EP1318148; EP1344775; EP1422218; EP1604976; EP1624068; EP1749824; EP1754705; EP1780207; EP1876174; EP1886696; EP1930340; EP1970391; EP1997812; GB1487712; GB2246778; GB2341549; US2003207881; US2004044047; US20042 ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H312: Harmful in contact with skin; H225: Highly flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid Acros Organics
UniProt Database Links SIL1_CYLFU; SPED_ALCBS; SPED_ALKEH; SPED_ALKMQ; SPED_ALKOO; SPED_AZOVD; SPED_BREBN; SPED_BUCA5; SPED_BUCAI; SPED_BUCAP; SPED_BUCAT; SPED_CHRSD; SPED_CITK8; SPED_CLOAB; SPED_CLOB8; SPED_CLOBA; SPED_CLOBB; SPED_CLOP1; SPED_CLOPE; SPED_CLOPS; SPED_CROS8; SPE ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.